(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide

C17H30N4O2 — CID 100842753

IUPAC(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide
SMILESCC(C)[C@H](C(=O)N[C@H](C)Cn1cccn1)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H30N4O2/c1-12(2)16(20-10-14(4)23-15(5)11-20)17(22)19-13(3)9-21-8-6-7-18-21/h6-8,12-16H,9-11H2,1-5H3,(H,19,22)/t13-,14-,15+,16-/m1/s1
InChIKeyIGADLOOHHUTBMF-LVQVYYBASA-N
MW322.45 g/mol
LogP1.52
Rot. Bonds6

About (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide

(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide (PubChem CID 100842753) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide
PubChem CID100842753
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide
SMILESCC(C)[C@H](C(=O)N[C@H](C)Cn1cccn1)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H30N4O2/c1-12(2)16(20-10-14(4)23-15(5)11-20)17(22)19-13(3)9-21-8-6-7-18-21/h6-8,12-16H,9-11H2,1-5H3,(H,19,22)/t13-,14-,15+,16-/m1/s1
InChIKeyIGADLOOHHUTBMF-LVQVYYBASA-N
XLogP1.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6S)-2,6-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-sulfonamide
CID 100845308
2-[[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]amino]propanoic acid
CID 119348720
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 98727349
2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
CID 62854654
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propan-2-ol
CID 98758880
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 98750563
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583842
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]butanamide
CID 94822505
2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 110001912
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 94800842
2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
CID 43695389
3-[[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]propanoic acid
CID 125151081

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide?
The IUPAC name of (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide (CID 100842753) is (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide.
What is the SMILES notation for (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide?
The canonical SMILES for (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide is CC(C)[C@H](C(=O)N[C@H](C)Cn1cccn1)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide?
The InChIKey is IGADLOOHHUTBMF-LVQVYYBASA-N. The full InChI is InChI=1S/C17H30N4O2/c1-12(2)16(20-10-14(4)23-15(5)11-20)17(22)19-13(3)9-21-8-6-7-18-21/h6-8,12-16H,9-11H2,1-5H3,(H,19,22)/t13-,14-,15+,16-/m1/s1.
What are the key properties of (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide?
(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide has a molecular weight of 322.45 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]butanamide is sourced from PubChem (CID 100842753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).